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	hartrees
Energy at 0K	-204.671953
Energy at 298.15K	-204.679769
HF Energy	-204.119181
Nuclear repulsion energy	124.351843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3499	17.97
2	A	3774	3494	24.71
3	A	3676	3403	12.43
4	A	3668	3396	27.05
5	A	3620	3352	3.06
6	A	1870	1731	308.91
7	A	1748	1619	154.26
8	A	1731	1603	35.88
9	A	1548	1433	119.20
10	A	1270	1176	28.32
11	A	1203	1114	66.16
12	A	1175	1087	15.18
13	A	989	916	7.36
14	A	894	827	63.71
15	A	850	787	345.30
16	A	732	677	196.51
17	A	627	581	192.01
18	A	564	522	15.85
19	A	498	461	0.23
20	A	416	385	28.41
21	A	379	351	45.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.124	-0.000
N2	-0.202	1.382	0.009
N3	-0.980	-0.882	0.082
N4	1.268	-0.398	-0.088
H5	-1.189	1.611	-0.032
H6	-1.923	-0.561	-0.058
H7	-0.772	-1.682	-0.495
H8	1.955	0.333	0.011
H9	1.437	-1.156	0.555

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2710	1.3944	1.3910	1.8927	2.0250	2.0192	1.9841	2.0162
N2	1.2710		2.3952	2.3106	1.0139	2.5962	3.1572	2.3986	3.0704
N3	1.3944	2.3952		2.3054	2.5049	1.0065	1.0079	3.1768	2.4774
N4	1.3910	2.3106	2.3054		3.1743	3.1952	2.4450	1.0077	1.0082
H5	1.8927	1.0139	2.5049	3.1743		2.2928	3.3517	3.3940	3.8599
H6	2.0250	2.5962	1.0065	3.1952	2.2928		1.6651	3.9800	3.4667
H7	2.0192	3.1572	1.0079	2.4450	3.3517	1.6651		3.4283	2.5019
H8	1.9841	2.3986	3.1768	1.0077	3.3940	3.9800	3.4283		1.6679
H9	2.0162	3.0704	2.4774	1.0082	3.8599	3.4667	2.5019	1.6679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.360	C1	N3	H6	114.040
C1	N3	H7	113.419	C1	N4	H8	110.600
C1	N4	H9	113.401	N2	C1	N3	127.894
N2	C1	N4	120.381	N3	C1	N4	111.722
H6	N3	H7	111.510	H8	N4	H9	111.653

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CISD/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH5N3 (Guanidine)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)